rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | K784-3226 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-1-oxo-2-[(oxolan-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 562.49 |
| Molecular Formula: | C28 H33 Cl2 N3 O5 |
| Smiles: | C[C@]12C=C[C@@]3(C(C(NC4CCCCC4)=O)N(CC4CCCO4)C([C@H]3[C@H]1C(Nc1ccc(c(c1)[Cl])[Cl])=O)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3738 |
| logD: | 2.9203 |
| logSw: | -4.5159 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.748 |
| InChI Key: | JRAUWSYWDZWVGM-NEIJZGOGSA-N |